2B8V

Crystal structure of human Beta-secretase complexed with L-L000430,469

2B8V の概要

• エントリーDOI: 10.2210/pdb2b8v/pdb
• 関連するPDBエントリー: 1TQF
• 分子名称: Beta-secretase 1, 3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE (3 entities in total)
• 機能のキーワード: aspartyl protease, bace, hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein: P56817
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 45658.40

構造登録者

Stachel, S.J.,Coburn, C.A.,Steele, T.G.,Crouthamel, M.-C.,Pietrak, B.L.,Lai, M.-T.,Holloway, M.K.,Munshi, S.K.,Graham, S.L.,Vacca, J.P. (登録日: 2005-10-10, 公開日: 2005-12-06, 最終更新日: 2023-08-23)

主引用文献

Stachel, S.J.,Coburn, C.A.,Steele, T.G.,Crouthamel, M.-C.,Pietrak, B.L.,Lai, M.-T.,Holloway, M.K.,Munshi, S.K.,Graham, S.L.,Vacca, J.P.
Conformationally biased P3 amide replacements of beta-secretase inhibitors.
Bioorg.Med.Chem.Lett., 16:641-644, 2006

PubMed Abstract: We have synthesized and evaluated a series of conformationally biased P3 amide replacements based on an isophthalamide lead structure. The studies resulted in the identification of the beta-secretase inhibitor 7m which has an in vitro IC(50)=35 nM. The synthesis and biological activities of these compounds are described.

PubMed: 16263281
DOI: 10.1016/j.bmcl.2005.10.032

実験手法

X-RAY DIFFRACTION (1.8 Å)